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arXiv · 1304.7640

Thermodynamic equilibrium conditions of graphene films on SiC

Lydia Nemec·Volker Blum·Patrick Rinke·Matthias Scheffler
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Abstract

First-principles surface phase diagrams reveal that epitaxial monolayer graphene films on the Si side of 3C-SiC(111) can exist as thermodynamically stable phases in a narrow range of experimentally controllable conditions, defining a path to the highest-quality graphene films. Our calculations are based on a van der Waals corrected density functional. The full, experimentally observed (6 sqrt(3)x 6 sqrt(3))-R30 supercells for zero- to trilayer graphene are essential to describe the correct interface geometries and the relative stability of surface phases and possible defects.

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Lydia Nemec, Volker Blum, Patrick Rinke, Matthias Scheffler. 2013-04-29. Thermodynamic equilibrium conditions of graphene films on SiC. https://doi.org/10.1103/physrevlett.111.065502

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